Basic information
- Standard SMILES
CCOC(=O)CCCc1ccc(N2Cc3cc([N+](=O)[O-])ccc3C2=O)cc1- InChIKey
PHKVTJRXRKZCKJ-UHFFFAOYSA-N- Molecular formula
- C20H20N2O5
- Average molar mass
- 368.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-(5-Nitro-1-oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-butyric acid ethyl ester
- IUPAC
- ethyl 4-[4-(6-nitro-3-oxo-1H-isoindol-2-yl)phenyl]butanoate
Names & synonyms
SCHEMBL1468434PHKVTJRXRKZCKJ-UHFFFAOYSA-N4-[4-(5-nitro-1-oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 67045199
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 553
Related reactions
1 records
Compound notes
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